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. Author manuscript; available in PMC: 2009 Apr 17.
Published in final edited form as: J Comput Chem. 2009 Apr 15;30(5):673–699. doi: 10.1002/jcc.21005

Figure 1.

Figure 1

Parsing a solute into model compounds using Met-Enkephalin (Acetyl-YGGFM-N-Methylamide) as an example. The six peptide units are shown in blue, cyan, green, yellow, orange and red, each using N-Methylacetamide as the model compound. The sidechains for the tyrosine, phenylalanine, and methionine residues are as indicated. The corresponding model compounds are p-Cresol (Tyr), Toluene (Phe), and Ethyl Methyl Thioether (Met). Details of the parsing are shown in Table I.